Abstract
The trends of magnetic coupling strength in Mn-doped III-V semiconductors are explained using a physically transparent band-coupling model, based on first-principles calculations. According to this model, the stability of the ferromagnetism in Mn-doped III-V semiconductors should increase with both the strength of p-d coupling and an effective coupling range parameter, α. However, these two quantities counteract to each other, i.e., increased p-d coupling strength means a decreased α value. Therefore, this competition will lead to the non-monotonic variation of ferromagnetic interaction in Mn-doped common-cation III-V semiconductors as the anion becomes heavier. Our results suggest that Mn-doped GaAs and AlAs are optimal materials for high TC spintronics, in good agreement with experimental observations.
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